Information card for entry 8100117

Structure parameters

• Formula: C14 H12 O4
• Calculated formula: C14 H12 O4
• SMILES: o1c(ccc1)/C(=C\C(=O)c1ccc(OC)cc1)O
• Title of publication: Crystal structure of 1-(2-furyl)-3-(p-methoxyphenyl)-1,3-propanedione, C~14~H~12~O~4~, the enol form
• Authors of publication: Li, Xia; Zou, Ying-Quan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 3
• Pages of publication: 281 - 282
• a: 10.871 ± 0.003 Å
• b: 7.564 ± 0.002 Å
• c: 29.083 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2391.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No